[1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C78H67N5OPt — CID 168796671

IUPAC[1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
SMILESCc1cc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2cc(C(C)(C)C)ccn2)c2cc(Oc4cc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)cc(C(C)(C)C)c4)ccc23)cc(C)c1C
InChIInChI=1S/C78H67N5O.Pt/c1-51-43-59(44-52(2)53(51)3)82-68-34-19-16-31-64(68)78(65-32-17-20-35-69(65)82)66-33-18-21-36-70(66)83(74-47-56(41-42-79-74)76(4,5)6)73-49-60(39-40-67(73)78)84-61-46-57(77(7,8)9)45-58(48-61)80-50-81(72-38-23-22-37-71(72)80)75-62(54-25-12-10-13-26-54)29-24-30-63(75)55-27-14-11-15-28-55;/h10-49H,1-9H3;
InChIKeyLUQWYHYDGGZBAG-UHFFFAOYSA-N
MW1285.51 g/mol
LogP20.49
Rot. Bonds8

About [1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 168796671) has the molecular formula C78H67N5OPt and a molecular weight of 1285.51 g/mol. Its IUPAC name is [1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
PubChem CID168796671
Molecular FormulaC78H67N5OPt
Molecular Weight1285.51 g/mol
Exact Mass1284.50
IUPAC Name[1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
SMILESCc1cc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2cc(C(C)(C)C)ccn2)c2cc(Oc4cc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)cc(C(C)(C)C)c4)ccc23)cc(C)c1C
InChIInChI=1S/C78H67N5O.Pt/c1-51-43-59(44-52(2)53(51)3)82-68-34-19-16-31-64(68)78(65-32-17-20-35-69(65)82)66-33-18-21-36-70(66)83(74-47-56(41-42-79-74)76(4,5)6)73-49-60(39-40-67(73)78)84-61-46-57(77(7,8)9)45-58(48-61)80-50-81(72-38-23-22-37-71(72)80)75-62(54-25-12-10-13-26-54)29-24-30-63(75)55-27-14-11-15-28-55;/h10-49H,1-9H3;
InChIKeyLUQWYHYDGGZBAG-UHFFFAOYSA-N
XLogP20.49
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001285.51
LogP ≤ 520.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum with MolForge

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Related Compounds

[1-[3-[[10-(4-tert-butyl-2-pyridinyl)-10'-phenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796977
[1-[3-[[3,6-ditert-butyl-10'-(4-tert-butyl-2-pyridinyl)-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796969
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[10'-(4-tert-butyl-2-pyridinyl)-3,6,10-triphenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum
CID 168796934
[1-[3-[[3,6-ditert-butyl-10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796648
[1-[3-[10'-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796961
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum
CID 168796851
[1-(2,6-diphenylphenyl)-3-[3-[10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-3-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 168796920
[1-[3-[[17,25-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15(20),16,18,23,25-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796644
[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066515
[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066650
[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-2,2-dimethyl-3,4-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066487
[1-[3-[[21-(4-tert-butylphenyl)-8-(4-tert-butyl-2-pyridinyl)-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum
CID 168796723

Frequently Asked Questions

What is the IUPAC name of [1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 168796671) is [1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is Cc1cc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2cc(C(C)(C)C)ccn2)c2cc(Oc4cc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)cc(C(C)(C)C)c4)ccc23)cc(C)c1C.
What is the InChIKey of [1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?
The InChIKey is LUQWYHYDGGZBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H67N5O.Pt/c1-51-43-59(44-52(2)53(51)3)82-68-34-19-16-31-64(68)78(65-32-17-20-35-69(65)82)66-33-18-21-36-70(66)83(74-47-56(41-42-79-74)76(4,5)6)73-49-60(39-40-67(73)78)84-61-46-57(77(7,8)9)45-58(48-61)80-50-81(72-38-23-22-37-71(72)80)75-62(54-25-12-10-13-26-54)29-24-30-63(75)55-27-14-11-15-28-55;/h10-49H,1-9H3;.
What are the key properties of [1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?
[1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1285.51 g/mol, XLogP of 20.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-10'-(3,4,5-trimethylphenyl)-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 168796671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).